National Institute of Technology Rourkela

राष्ट्रीय प्रौद्योगिकी संस्थान राउरकेला

ଜାତୀୟ ପ୍ରଯୁକ୍ତି ପ୍ରତିଷ୍ଠାନ ରାଉରକେଲା

An Institute of National Importance

Faculty Profile

ORCID ID
Scopus ID
Researcher ID
Google Scholar ID

BIOGRAPHY

Madhurima Jana is currently a Professor at NIT Rourkela. She completed her doctoral studies in computational physical chemistry, focusing on carbohydrate dynamics, from IIT Kharagpur in 2012. In 2011, she joined the Department of Chemistry at NIT Rourkela as an Assistant Professor. She spent one year (2013-2014) at the University of Maryland, Baltimore and involved in developing Drude polarizable force field for carbohydrates. Her research group uses state-of-art molecular dynamics, enhanced sampling techniques, and quantum mechanical tools in exploring the following areas, • Effects of additives/cosolvent on protein structure and dynamics • Structural aspects of glycans and their interactions with proteins • Lipid-sugar interactions • Alcohol-induced stress on lipid bilayer • Force Field development for carbohydrate and small organic molecules • Host-guest interaction in confined media • Transport properties of Li-ion battery electrolytes in the presence of potential new additives and salts. Visit us @Research Group Webpage: https://sites.google.com/view/madhurimajana

EXPERTISE INFORMATION

Research Group
  • Physical Chemistry
Areas of Interest
  • Computational Physical Chemistry

Madhurima Jana Professor & Associate Dean (Sponsored Research)

Chemistry

janam@nitrkl.ac.in

0661 - 246 2663

Biosketch

52

PUBLICATIONS

4

SPONSORED PROJECTS

10

DOCTORAL STUDENTS

3

CONTINUING EDUCATION

PERSONAL INFORMATION

Madhurima Jana

Professor

Chemistry

Room Number: MC-318

Department of Chemistry, National Institute of Technology Rourkela, Sundargarh, Odisha, India - 769008

2012

Ph.D.
Computational Biophysics
IIT Kharagpur

2005

M.Sc
Chemistry (Spl: Physical)
Vidyasagar University

Teaching Experience
  • Physical and Computational Chemistry,  NIT Rourkela,   17 Nov 2011 - present
Post Doctoral Research Experience
  • Development of carbohydrate force field,  University of Maryland, Baltimore,   03 Dec 2013 - 05 Dec 2014
  • Proton transfer reaction in formic acid dimer,  Pontificia Universtded Catolica de Chile, Santiago,   01 May 2012 - 30 Jun 2012
Laboratory Development
  • Molecular Simulation Laboratory,  NIT Rourkela,   Computational laboratory equipped with servers, workstations and high performance computing cluster to carry on atomistic simulations of materials and biological macromolecules.

Analyzing saccharide effects on lipid bilayers under alcohol induced stress: A computer simulation approach. Science & Engineering Research Board(SERB)
  • Principal Investigator
  • 36
  • Running   Sponsored
Microscopic investigation of the stability of proteins in Amino Acid solutions SERB
  • Principal Investigator
  • 36
  • Completed   Sponsored
In silico studies of structural diversity of glycosaminoglycans and their interactions with protein BRNS
  • Principal Investigator
  • 36
  • Completed   Sponsored
Effects of Alcohols on Proteins: A Molecular Dynamics Simulation Approach SERB
  • Principal Investigator
  • 36
  • Completed   Sponsored

15
GOOGLE SCHOLAR H-INDEX 22
GOOGLE SCHOLAR I10-INDEX 0
SCOPUS H-INDEX
Total Publications: 52
View All Publications

D. Mohanta and M. Jana,"Effect of ethanol concentrations on temperature driven structural changes of chymotrypsin inhibitor 2", Journal of Chemical Physics, vol.144, no.16, pp.165101, American Institute of Physics, April 2016, 10.1063/1.4947239       Article

D. Mohanta, S. Santra, and M. Jana,"Conformational disorder and solvation properties of the key-residues of a protein in water-ethanol mixed solutions", Physical Chemistry Chemical Physics, vol.19, no.48, pp.32636-32646, Royal Society of Chemistry 2017, 10.1039/c7cp06022j       Article

D. Mohanta and M. Jana,"Can 2,2,2-trifluoroethanol be an efficient protein denaturant than methanol and ethanol under thermal stress?", Physical Chemistry Chemical Physics, vol.20, no.15, pp.9886-9896, Royal Society of Chemistry, March 2018, 10.1039/C8CP01222A       Article

R. Parida, G. N. Reddy, A. Chakraborty, S. Giri, and M. Jana,"A new class of superhalogen based anion receptor in Li-ion battery electrolytes", Journal of Chemical Information and Modeling, vol.59, no.5, pp.2159-2164, American Chemical Society, February 2019, 10.1021/acs.jcim.9b00035       Article

Modeling and Synthesis: Molecules to Macromolecules (MSMM-2023) Chemistry (Workshop)
Molecular Modeling of Materials and Biological Macromolecules Chemistry (Workshop)
Biomolecular Dynamics: Experimental and Theoretical Perspectives (BDETP-2017) Chemistry (Conference)
  • Co-Coordinator
  • 18 Dec 2017 - 20 Dec 2017
  • Brochure

  • CY1002 : Chemistry of Materials for Energy Applications {Theory}
  • CY101 : Chemistry {Theory}
  • CY1101 : Chemistry {Theory}
  • CY2301 : Physical Chemistry: Equilibrium and Changes {Theory}
  • CY231 : Basic Physical Chemistry I {Theory}
  • CY231 : Basic Physical Chemistry-I {Theory}
  • CY232 : Chemical Kinetics {Theory}
  • CY331 : Basic Physical Chemistry – II {Theory}
  • CY5301 : Statistical Thermodynamics {Theory}
  • CY5302 : Computational Chemistry {Theory}
  • CY533 : Statistical Thermodynamics {Theory}
  • CY534 : Computational Chemistry {Theory}
  • CY535 : Electrochemistry {Theory}
  • CY1170 : Chemistry Laboratory {Practical}
  • CY170 : Chemistry Laboratory {Practical}
  • CY4704 : Mathematical and Computational Methods in Chemistry {Practical}
  • CY571 : Computational Chemistry Laboratory – I {Practical}
  • CY572 : Computational Chemistry Laboratory – II {Practical}

Ph.D. Students [9]
Combined Density Functional Theory and Molecular Dynamics Study on the Design and Application of Super-Alkali/Halogen and Analysis of Reaction Mechanism
Rakesh Parida
Enrolled: Jan 2017
Graduated :  Apr 2022
Supervisor
In Silico Studies of Functionalized Aromatic Heterocyclic and Zintl Ion Based Super-Atom/Alkali/Halogen
G Naaresh Reddy
Enrolled: Jan 2016
Graduated :  Aug 2020
Supervisor
Molecular Dynamics Studies of the Effects of Alcohols on Chymotrypsin Inhibitor 2
Dayanidhi Mohanta
Enrolled: Jan 2013
Graduated :  May 2018
Supervisor
Microscopic Investigation of Conformational Stability of Proteins in Amino Acid Solutions and the Properties of Solvent Around it
Santanu Santra
Enrolled: Jul 2016
Graduated :  May 2022
Supervisor
Conformations and Binding of Chondroitin Sulfate, Heparan Sulfate, and Hyaluronic Acid with CXCL8 in Aqueous Medium from Molecular Dynamics Simulation
Shakuntala Dhurua
Enrolled: Jan 2019
Graduated :  Sep 2024
Supervisor
Computational Chemistry
Rabiul Gazi
Enrolled: Jan 2020
Continuing
Supervisor
Computational Chemistry
Piyusaranjan Giri
Enrolled: Aug 2021
Continuing
Supervisor
COMPUTATIONAL CHEMISTRY
Sankar Maity
Enrolled: Apr 2022
Continuing
Supervisor
COMPUTIONAL CHEMISTRTY
Bilash Maity
Enrolled: Jul 2023
Continuing
Supervisor
Executive Ph.D. Students [1]
Computational Chemistry
Sashmita Nayak
Enrolled: Aug 2021
Continuing
Supervisor

Awards And Honours
  • CRSI Bronze Medal 2023,   2023
  • Fellow of Indian Chemical Society,   2019
  • BRNS-DAE Young Scientist Award,   2018
  • IUSSTF award (by United States-India Science and Technology Endowment Fund, Govt. of USA and INDIA),   2013
  • DST FASTTRACK Young Scientist,   2013
  • Eli-Lily Asia Outstanding Thesis Award (1st Prize),   2012
  • National Scholarship,   1998
Memberships / Fellowships
  • • Life member, Indian Photobiology Society,   2023
  • • Community Member, American Chemical Society,   2020
  • • Life member, Indian Chemical Society,   2018
  • • Life member, Chemical Research Society of India,   2013
  • • Member, Odisha Chemical Society, India,   2013
  • • JRF through GATE ( IIT Kharagpur),   2006
  • • JRF-SRF (CSIR-UGC),   2005